Principles and Applications of Density Functional Theory in Inorganic Chemistry I

The Calculation of NMR Parameters in Transition Metal Complexes.- Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.

List of contents

The Calculation of NMR Parameters in Transition Metal Complexes.- Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.

Product details

• Assisted by: E McGrady (Editor), E McGrady (Editor), Ni Kaltsoyanis (Editor), Nik Kaltsoyanis (Editor), John E. McGrady (Editor)
• Publisher: Springer, Berlin
• Languages: English
• Product format: Paperback / Softback
• Released: 16.10.2013
• EAN: 9783662145388
• ISBN: 978-3-662-14538-8
• No. of pages: 194
• Dimensions: 155 mm x 11 mm x 235 mm
• Weight: 324 g
• Illustrations: X, 194 p.
• Series: Structure and Bonding; Structure and Bonding
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Inorganic chemistry; Physikalische Chemie, C, Quanten- und theoretische Chemie, Chemistry and Materials Science, Physical Chemistry, Quantum & theoretical chemistry, Theoretical and Computational Chemistry, Chemistry, Physical and theoretical, Theoretical Chemistry, Inorganic Chemistry